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Perforin-IN-2 50mg

CAT: 0628-A24482-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A24482-50Size:50 mg
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CAS Number
1567836-70-7

Chemical Information

Perforin-IN-2
CAS Number1567836-70-7
PubChem CID73295278
IUPAC NameN-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2-nitrobenzenesulfonamide
Molecular FormulaC24H18N4O5S2
Molecular Weight506.6
XLogP3.2
Topological Polar Surface Area162
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity907
SMILES
CN1CC2=C(C1=O)C=CC(=C2)C3=CC=C(S3)C4=CC(=CN=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]
InChI
InChI=1S/C24H18N4O5S2/c1-27-14-17-10-15(6-7-19(17)24(27)29)21-8-9-22(34-21)16-11-18(13-25-12-16)26-35(32,33)23-5-3-2-4-20(23)28(30)31/h2-13,26H,14H2,1H3
InChIKey
BIAQRTAXQYZHBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perforin-IN-2
CAS: 1567836-70-7
CID: 73295278
Formula: C24H18N4O5S2
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass506.07186203
Monoisotopic Mass506.07186203
Topological Polar Surface Area162 Ų
Heavy Atom Count35
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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